ethyl 4-(5-butyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate

Systemtic Name: ethyl 4-(5-butyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate Openeye Name: ethyl 4-(5-butyl-2-thioxo-1,3,5-triazinan-5-ium-1-yl)benzoate CAS Name: 4-(5-butyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-butyl-2-sulfanylidene-1,3,5-triazinan-5-ium-1-yl)benzoate Traditional Name: 4-(5-butyl-2-thioxo-1,3,5-triazinan-5-ium-1-yl)benzoic acid ethyl ester Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CNC(=S)N(C1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC[NH+]1CNC(=S)N(C1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C16H23N3O2S/c1-3-5-10-18-11-17-16(22)19(12-18)14-8-6-13(7-9-14)15(20)21-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,22)/p+1